Geometry & MOs

Info

ID:	680
PubChem CID:	3184
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-20.68
Dipole, Da:	21.68
IP(EA), eV:	-4.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=[NH+]C(=CC=C1)CC[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

DOS

IR

Vibrations